Results 121 to 130 of about 41,275 (293)

FeIII‐Mediated Synthesis of Azaspirodienones via Ipso‐Radical Cyclization of Ugi–4CR Adducts

European Journal of Organic Chemistry, EarlyView.
An efficient two‐step protocol for the synthesis of azaspirodienones via Fe‐mediated ipso‐radical cyclization of Ugi adducts has been developed. This methodology provides rapid access to these privileged spirocyclic architectures under mild conditions, offering a practical and versatile approach to generating structurally complex molecules with ...
Silvia J. Becerra–Anaya, Valeria Morales–Hernández, Luis A. Polindara–García   +2 more
wiley   +1 more source

Pharmacophore models.

, 2013
(A), Left panel, Structure-based pharmacophore generated from the Mg++ loaded ERK8/ADP complex (coordinates were taken from the refined ERK8 structure) by using the Ligandscout software.
Mattia Mori (103397), David Colecchia (103402), Maurizio Botta (103410), Angela Strambi (103393), Francesca Carlomagno (103407), Matteo Rossi (103399), Fabrizio Manetti (103405), Mario Chiariello (103412)   +7 more
core   +1 more source

Multi‐omics–driven precision medicine

iMeta, EarlyView.
Multi‐omics‐driven precision medicine (MODPM) provides a multiscale, continuously learnable framework that integrates genomics, epigenomics, transcriptomics, proteomics, metabolomics, microbiome profiles, and clinical data. Powered by artificial intelligence and foundation models, MODPM enables cross‐modal representation learning, contextual modeling ...
Huibo Li, Zhe Zhao, Yifan Zhang, Yao Ma, Gaofei Hu, Min Zeng, Zhanqun Yang, Zixuan Zhao, Xin Zhou, Wei Hu, Yuxuan Sun, Meng Su, Jun Li, Matthew Whiteman, Wei Fu, Chao Zhong, Lemin Zheng, Long Chen, Hairong Lv, Rongsheng Zhao, Yi Zhun Zhu   +20 more
wiley   +1 more source

New Hydrazone Derivatives Featuring Isatin and Piperazine Moieties: Synthesis, Cytotoxicity Evaluation, and Molecular Modeling Studies

Journal of Applied Toxicology, EarlyView.
ABSTRACT In this study, ten novel compounds (IPH1–IPH10) were designed by integrating three pharmacophores (isatin, piperazine, and hydrazone) commonly found in the molecular structures of anticancer agents. The target molecules were obtained by the reaction of in‐house prepared 4‐(4‐(pyridin/pyrimidin‐2‐yl)piperazin‐1‐yl)benzohydrazide with various ...
Semiha Köprü, Münevver Baran, Miyase Gözde Gündüz, Şengül Dilem Doğan   +3 more
wiley   +1 more source

Molecular theranostics: principles, challenges and controversies

Journal of Medical Radiation Sciences, Volume 72, Issue 1, Page 156-164, March 2025.
Molecular theranostics offers a powerful tool to drive precision medicine in nuclear oncology. While theranostics is not a new principle in nuclear medicine, recent advances in instrumentation and radiopharmacy have driven a reinvigoration and a broader suite of applications.
Geoffrey Currie
wiley   +1 more source

Triptolide Suppresses Tongue Squamous Cell Carcinoma Progression via PI3K–AKT Pathway Inhibition: An Integrative Network Pharmacology and Experimental Validation Study

The Kaohsiung Journal of Medical Sciences, EarlyView.
ABSTRACT Tongue squamous cell carcinoma, the most aggressive subtype of oral squamous cell carcinoma, which is associated with high mortality, frequent recurrence, and early lymph‐node metastasis. Triptolide, a bioactive diterpenoid from Tripterygium wilfordii, exhibits broad anticancer activity.
Shan‐Shan Wang, Hong‐Cheng Wei, Lin Jiang, Yi‐Sen Shao   +3 more
wiley   +1 more source

Ligand-based pharmacophore modeling using novel 3D pharmacophore signatures

, 2020
© 2018 by the authors. Pharmacophore modeling is a widely used strategy for finding new hit molecules. Since not all protein targets have available 3D structures, ligand-based approaches are still useful. Currently, there are just a few free ligand-based
Kutlushina A., Khakimova A., Madzhidov T., Polishchuk P.   +3 more
core  

Innovative Integration of Butina Clustering with Ensemble Learning Techniques for the Refined Pharmacophore Modeling of Apelin Receptor Agonists: A High-Impact Computational Approach [PDF]

3D pharmacophore models describe the ligand’s chemical interactions in their bioactive conformation. They offer a simple but sophisticated approach to decipher the chemically encoded ligand information, making them a valuable tool in Drug Design.
Ngoc-Vi Nguyen, Tran, Xuan-Truc Dinh , Tran, Tuyen Ngoc, Truong, Van-Thinh, To, Ngoc-Tam Nguyen, Tran, Nhu-Ngoc Song, Nguyen, Tieu-Long, Phan, Dong-Nghi Hoang, Nguyen   +7 more
core   +1 more source

Hydroxamic Acids as HDAC Inhibitor Drug Leads for Malaria

Medicinal Research Reviews, EarlyView.
ABSTRACT Malaria is a global health threat, with an estimated 282 million cases and 610,000 malaria‐associated deaths reported in 2024. Most mortality is due to infection by Plasmodium falciparum parasites, with the highest burden occurring in Sub‐Saharan Africa.
Wisam A. Dawood, Jacinta R. Macdonald, Christian Anzenhofer, Tina S. Skinner‐Adams, Robert C. Reid, Thomas Kurz, David P. Fairlie, Katherine T. Andrews   +7 more
wiley   +1 more source

Redefining CHI3L1: Therapeutic Opportunities at the Crossroads of Immune Suppression and Disease Progression

Medicinal Research Reviews, EarlyView.
ABSTRACT Chitinase‐3‐like‐1 (CHI3L1, also known as YKL‐40) has been recognized as a biomarker of inflammation and tissue remodeling and has now emerged as a pseudoenzymatic immune checkpoint. Recent structural, immunological, and translational studies redefine it as an active regulator of immune suppression rather than a passive disease marker. Despite
Kirti Upmanyu, Saurabh Upadhyay, Moustafa T. Gabr   +2 more
wiley   +1 more source